- InChI
- InChI=1S/C7H5Cl2NO2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,10H2,(H,11,12)
- InChI Key
- UHXYYTSWBYTDPD-UHFFFAOYSA-N
- Formula
- C7H5Cl2NO3
- SMILES
- Nc1c(Cl)cc(C(=O)O)cc1Cl
- Molecular Weight1
- 222.03
- CAS
- 56187-37-2
- Other Names
-
- 3,5-dichloro-4-oxo-4H-pyridine-1-acetic acid
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7737 | Relay (1.0) Calculated Property | |
| ΔfG° | -131.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -350.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.274 | Crippen Calculated Property | |
| McVol | 127.630 | ml/mol | McGowan Calculated Property |
| Pc | 4652.99 | kPa | Joback Calculated Property |
| Tboil | 575.49 | K | Relay (1.0) Calculated Property |
| Tc | 891.86 | K | Relay (1.0) Calculated Property |
| Tfus | 517.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.441 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [273.93; 305.59] | J/mol×K | [694.62; 921.79] | 
|
| Cp,gas | 273.93 | J/mol×K | 694.62 | Joback Calculated Property |
| Cp,gas | 280.35 | J/mol×K | 732.48 | Joback Calculated Property |
| Cp,gas | 286.29 | J/mol×K | 770.34 | Joback Calculated Property |
| Cp,gas | 291.76 | J/mol×K | 808.21 | Joback Calculated Property |
| Cp,gas | 296.79 | J/mol×K | 846.07 | Joback Calculated Property |
| Cp,gas | 301.40 | J/mol×K | 883.93 | Joback Calculated Property |
| Cp,gas | 305.59 | J/mol×K | 921.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1(4H)-Pyridineacetic acid, 3,5-dichloro-4-oxo-.
Sources
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